N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine

C17H26BrN — CID 115847441

IUPACN-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H26BrN/c1-3-10-19-17(11-14-6-4-5-7-14)15-9-8-13(2)16(18)12-15/h8-9,12,14,17,19H,3-7,10-11H2,1-2H3
InChIKeyFAUPIBTUKLYYCM-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.38
Rot. Bonds6

About N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine

N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine (PubChem CID 115847441) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine
PubChem CID115847441
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine
SMILESCCCNC(CC1CCCC1)c1ccc(C)c(Br)c1
InChIInChI=1S/C17H26BrN/c1-3-10-19-17(11-14-6-4-5-7-14)15-9-8-13(2)16(18)12-15/h8-9,12,14,17,19H,3-7,10-11H2,1-2H3
InChIKeyFAUPIBTUKLYYCM-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-cyclohexyl-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 43493979
N-[(3-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027860
N-[1-(3-bromo-4-propoxyphenyl)-2-cyclopropylethyl]propan-1-amine
CID 104658095
N-[2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethyl]propan-1-amine
CID 65296826
1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 113337189
N-[1-(3,4-dimethylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115846940
N-(2-cycloheptyl-1-phenylethyl)propan-1-amine
CID 114457602
1-(3-bromo-4-methylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104993778
1-(3-bromo-4-fluorophenyl)-3-cyclopentyl-N-propylpropan-1-amine
CID 79747612
N-[1-(4-chloro-3-fluorophenyl)-2-cyclobutylethyl]propan-1-amine
CID 107993397
N-[1-(4-bromo-3-chlorophenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 115847097
N-[2-cyclopentyl-1-(3,4,5-trifluorophenyl)ethyl]propan-1-amine
CID 63417117

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine (CID 115847441) is N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine is CCCNC(CC1CCCC1)c1ccc(C)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine?
The InChIKey is FAUPIBTUKLYYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-10-19-17(11-14-6-4-5-7-14)15-9-8-13(2)16(18)12-15/h8-9,12,14,17,19H,3-7,10-11H2,1-2H3.
What are the key properties of N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine?
N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-methylphenyl)-2-cyclopentylethyl]propan-1-amine is sourced from PubChem (CID 115847441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).